2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid

C11H11F3O4 — CID 170999024

IUPAC2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid
SMILESCCOc1ccc(CC(=O)O)c(OC(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c1-2-17-8-4-3-7(5-10(15)16)9(6-8)18-11(12,13)14/h3-4,6H,2,5H2,1H3,(H,15,16)
InChIKeyZBEIOVGIZQCQDF-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid

2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid (PubChem CID 170999024) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid
PubChem CID170999024
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid
SMILESCCOc1ccc(CC(=O)O)c(OC(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c1-2-17-8-4-3-7(5-10(15)16)9(6-8)18-11(12,13)14/h3-4,6H,2,5H2,1H3,(H,15,16)
InChIKeyZBEIOVGIZQCQDF-UHFFFAOYSA-N
XLogP2.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetonitrile
CID 170997989
1-(3-bromopropyl)-4-ethoxy-2-(trifluoromethoxy)benzene
CID 118824499
2-[4-bromo-2-(trifluoromethoxy)phenyl]acetic acid
CID 68846463
[5-ethoxy-2-(trifluoromethoxy)phenoxy]boronic acid
CID 142787488
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
CID 170998746
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
1-(2,4-diethoxyphenyl)-2,2,2-trifluoroethanone
CID 83952962
4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999648
[2-ethoxy-4-(trifluoromethoxy)phenyl]methanol
CID 170997954
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
methyl 4-ethyl-3-(trifluoromethoxy)benzoate
CID 59382476

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid (CID 170999024) is 2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid is CCOc1ccc(CC(=O)O)c(OC(F)(F)F)c1.
What is the InChIKey of 2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid?
The InChIKey is ZBEIOVGIZQCQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-2-17-8-4-3-7(5-10(15)16)9(6-8)18-11(12,13)14/h3-4,6H,2,5H2,1H3,(H,15,16).
What are the key properties of 2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid?
2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid has a molecular weight of 264.20 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 170999024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).